beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole
TL;DR: beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole (CAS 18138-93-7) is a chemical compound with molecular formula C8H4FN5O11 and molecular weight 364.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoro-2,2-dinitroethoxy)-1,3,5-trinitrobenzene
Also Known As: beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole, 2-(2-fluoro-2,2-dinitroethoxy)-1,3,5-trinitrobenzene, Benzoic acid, 2-[(1-oxooctyl)oxy]-, 1-(2-Fluoro-2,2-dinitroethoxy)-2,4,6-trinitrobenzene, Benzene,2-(2-fluoro-2,2-dinitroethoxy)-1,3,5-trinitro-
| Molecular Formula | C8H4FN5O11 |
|---|---|
| Molecular Weight | 364.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.98914 |
| Heavy Atoms | 25 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 18138-93-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UTIOXNJCGBCKFQ-UHFFFAOYSA-N |
Product Overview
beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole (CAS 18138-93-7), with molecular formula C8H4FN5O11 and molecular weight 364.99 g/mol. IUPAC: 2-(2-fluoro-2,2-dinitroethoxy)-1,3,5-trinitrobenzene.
Chemical Property Profile of beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole
Property Insights of beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole. The TPSA of 238.0 Ų indicates high polarity, suggesting beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole?
The CAS number of beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole is 18138-93-7.
What is the molecular formula of beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole?
The molecular formula of beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole is C8H4FN5O11.
What is the molecular weight of beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole?
The molecular weight of beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole is 364.99 g/mol.
Where can I buy beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole?
You can request a quote for beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole?
Yes, KEHONG BIO provides custom synthesis services for beta-Fluoro-beta,beta,2,4,6-pentanitrophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.